material_id stringlengths 6 10 | formula_pretty stringlengths 3 24 | n_elements int64 2 8 | contains_transition_metal bool 2
classes | formation_energy_per_atom float64 -2.33 7.95 | energy_per_atom float64 -16.62 2.06 | band_gap float64 -0.87 5.03 | is_semiconductor bool 2
classes | density float64 -2.48 10.3 | volume float64 -1.19 19.9 | elements stringlengths 11 46 |
|---|---|---|---|---|---|---|---|---|---|---|
mp-1100498 | Li9Mn7O16 | 3 | true | -0.157124 | 0.04221 | -0.868213 | false | 0.107448 | -0.376194 | ['Li', 'Mn', 'O'] |
mp-1100480 | Li9Mn7O16 | 3 | true | -0.142707 | 0.046012 | -0.868213 | false | 0.070351 | -0.363798 | ['Li', 'Mn', 'O'] |
mp-1100485 | Li9Mn7O16 | 3 | true | -0.164674 | 0.040219 | -0.155298 | false | 0.107871 | -0.376334 | ['Li', 'Mn', 'O'] |
mp-1100492 | Li9Mn7O16 | 3 | true | -0.185833 | 0.034639 | -0.25456 | false | 0.11212 | -0.377731 | ['Li', 'Mn', 'O'] |
mp-1100496 | Li9Mn7O16 | 3 | true | -0.168981 | 0.039083 | -0.072557 | false | 0.090955 | -0.370727 | ['Li', 'Mn', 'O'] |
mp-1100493 | Li9Mn7O16 | 3 | true | -0.166381 | 0.039769 | -0.155501 | false | 0.093833 | -0.371685 | ['Li', 'Mn', 'O'] |
mp-1100505 | Li9Mn7O16 | 3 | true | -0.182855 | 0.035424 | -0.195585 | false | 0.12158 | -0.380824 | ['Li', 'Mn', 'O'] |
mp-1100486 | Li9Mn7O16 | 3 | true | -0.162747 | 0.040727 | -0.868213 | false | 0.112726 | -0.377929 | ['Li', 'Mn', 'O'] |
mp-1100491 | Li9Mn7O16 | 3 | true | -0.158053 | 0.041965 | -0.868213 | false | 0.122238 | -0.381039 | ['Li', 'Mn', 'O'] |
mp-1100494 | Li9Mn7O16 | 3 | true | -0.169384 | 0.038977 | -0.262347 | false | 0.101956 | -0.374381 | ['Li', 'Mn', 'O'] |
mp-1100500 | Li9Mn7O16 | 3 | true | -0.158204 | 0.041925 | -0.868213 | false | 0.111163 | -0.377416 | ['Li', 'Mn', 'O'] |
mp-1100484 | Li9Mn7O16 | 3 | true | -0.171101 | 0.038524 | -0.044525 | false | 0.105627 | -0.375594 | ['Li', 'Mn', 'O'] |
mp-1100497 | Li9Mn7O16 | 3 | true | -0.183762 | 0.035185 | -0.203913 | false | 0.121582 | -0.380825 | ['Li', 'Mn', 'O'] |
mp-1100528 | Li9Mn7O16 | 3 | true | -0.073648 | 0.064225 | -0.868213 | false | 0.02584 | -0.348445 | ['Li', 'Mn', 'O'] |
mp-1100487 | Li9Mn7O16 | 3 | true | -0.167616 | 0.039443 | -0.033691 | false | 0.08942 | -0.370214 | ['Li', 'Mn', 'O'] |
mp-1175415 | Li9Co7O16 | 3 | true | 0.278737 | 0.285914 | -0.836796 | false | 0.4436 | -0.443939 | ['Co', 'Li', 'O'] |
mp-1175447 | Li9Co7O16 | 3 | true | 0.300726 | 0.291713 | -0.856905 | false | 0.377895 | -0.425864 | ['Co', 'Li', 'O'] |
mp-1175383 | Li9Co7O16 | 3 | true | 0.305454 | 0.29296 | -0.868213 | false | 0.337796 | -0.414423 | ['Co', 'Li', 'O'] |
mp-1175436 | Li9Co7O16 | 3 | true | 0.305409 | 0.292948 | -0.823051 | false | 0.343589 | -0.416095 | ['Co', 'Li', 'O'] |
mp-1175445 | Li9Co7O16 | 3 | true | 0.301894 | 0.292021 | -0.847291 | false | 0.347333 | -0.417173 | ['Co', 'Li', 'O'] |
mp-1175480 | Li9Co7O16 | 3 | true | 0.310217 | 0.294216 | -0.868213 | false | 0.401119 | -0.432346 | ['Co', 'Li', 'O'] |
mp-1175379 | Li9Co7O16 | 3 | true | 0.293265 | 0.289745 | -0.242914 | false | 0.373041 | -0.424496 | ['Co', 'Li', 'O'] |
mp-1175492 | Li9Co7O16 | 3 | true | 0.312664 | 0.294861 | -0.437106 | false | 0.371969 | -0.424193 | ['Co', 'Li', 'O'] |
mp-1175418 | Li9Co7O16 | 3 | true | 0.275998 | 0.285191 | -0.439272 | false | 0.466634 | -0.450087 | ['Co', 'Li', 'O'] |
mp-1175380 | Li9Co7O16 | 3 | true | 0.29652 | 0.290604 | -0.354093 | false | 0.395893 | -0.430896 | ['Co', 'Li', 'O'] |
mp-1175382 | Li9Co7O16 | 3 | true | 0.300021 | 0.291527 | -0.259909 | false | 0.346777 | -0.417013 | ['Co', 'Li', 'O'] |
mp-1175390 | Li9Co7O16 | 3 | true | 0.302094 | 0.292074 | -0.823118 | false | 0.340825 | -0.415298 | ['Co', 'Li', 'O'] |
mp-1175471 | Li9Co7O16 | 3 | true | 0.33684 | 0.301237 | -0.868213 | false | 0.382376 | -0.427122 | ['Co', 'Li', 'O'] |
mp-1176084 | Li9Co7O16 | 3 | true | 0.432525 | 0.326472 | -0.868213 | false | 0.333254 | -0.413106 | ['Co', 'Li', 'O'] |
mp-1175515 | Li9Co7O16 | 3 | true | 0.399406 | 0.317738 | -0.868213 | false | 0.314085 | -0.407504 | ['Co', 'Li', 'O'] |
mp-1175497 | Li9Co7O16 | 3 | true | 0.362459 | 0.307994 | -0.725616 | false | 0.286957 | -0.399445 | ['Co', 'Li', 'O'] |
mp-1175571 | Li9Co7O16 | 3 | true | 0.288537 | 0.288498 | -0.652084 | false | 0.441839 | -0.443465 | ['Co', 'Li', 'O'] |
mp-1175514 | Li9Co7O16 | 3 | true | 0.381158 | 0.312925 | -0.868213 | false | 0.314212 | -0.407542 | ['Co', 'Li', 'O'] |
mp-1222566 | Li9Mn3N4 | 3 | true | 1.735363 | 0.581597 | -0.868213 | false | -0.811959 | -0.702618 | ['Li', 'Mn', 'N'] |
mp-761270 | Li9Cr5O12 | 3 | false | -0.317687 | 0.062028 | 0.106264 | true | -0.092335 | -0.55527 | ['Cr', 'Li', 'O'] |
mp-764889 | Li9Fe5O12 | 3 | true | 0.067318 | 0.229575 | -0.679235 | false | -0.073771 | -0.535124 | ['Fe', 'Li', 'O'] |
mp-767704 | Li9Mn15O32 | 3 | true | -0.048398 | -0.095444 | -0.868213 | false | 0.298864 | 0.35964 | ['Li', 'Mn', 'O'] |
mp-779050 | Li9V14O35 | 3 | false | -0.490784 | -0.179155 | -0.525128 | false | -0.433998 | 2.891545 | ['Li', 'O', 'V'] |
mp-767516 | Li9Sb3S | 3 | false | 1.335607 | 1.138714 | -0.840181 | false | -0.511007 | 1.714882 | ['Li', 'S', 'Sb'] |
mp-779282 | Li9Bi5O13 | 3 | false | 0.182334 | 0.501969 | -0.487278 | false | 1.290594 | 3.204068 | ['Bi', 'Li', 'O'] |
mp-1176815 | Li9Mn5O12 | 3 | true | -0.093612 | 0.148521 | 0.049117 | true | -0.142769 | 0.196603 | ['Li', 'Mn', 'O'] |
mp-1175466 | Li9Co7O16 | 3 | true | 0.31673 | 0.295934 | -0.868213 | false | 0.428536 | -0.439866 | ['Co', 'Li', 'O'] |
mp-676215 | Li9Ta11N20 | 3 | false | 1.537995 | -3.412958 | -0.868213 | false | 3.50446 | 0.006457 | ['Li', 'N', 'Ta'] |
mp-1100502 | Li9Mn7O16 | 3 | true | -0.160461 | 0.04133 | -0.525602 | false | 0.114028 | -0.378356 | ['Li', 'Mn', 'O'] |
mp-1100501 | Li9Mn7O16 | 3 | true | -0.165553 | 0.039987 | -0.469606 | false | 0.120898 | -0.380602 | ['Li', 'Mn', 'O'] |
mp-1100507 | Li9Mn7O16 | 3 | true | -0.163965 | 0.040406 | -0.556342 | false | 0.121991 | -0.380958 | ['Li', 'Mn', 'O'] |
mp-1100506 | Li9Mn7O16 | 3 | true | -0.165248 | 0.040068 | -0.489445 | false | 0.121701 | -0.380864 | ['Li', 'Mn', 'O'] |
mp-1100508 | Li9Mn7O16 | 3 | true | -0.165682 | 0.039953 | -0.44584 | false | 0.116416 | -0.379138 | ['Li', 'Mn', 'O'] |
mp-1100514 | Li9Mn7O16 | 3 | true | -0.183057 | 0.035371 | -0.355109 | false | 0.113138 | -0.378064 | ['Li', 'Mn', 'O'] |
mp-1100518 | Li9Mn7O16 | 3 | true | -0.174997 | 0.037497 | -0.868213 | false | 0.113295 | -0.378116 | ['Li', 'Mn', 'O'] |
mp-1100519 | Li9Mn7O16 | 3 | true | -0.180673 | 0.036 | -0.461413 | false | 0.1044 | -0.375189 | ['Li', 'Mn', 'O'] |
mp-1100521 | Li9Mn7O16 | 3 | true | -0.165861 | 0.039906 | -0.480914 | false | 0.095902 | -0.372374 | ['Li', 'Mn', 'O'] |
mp-1100513 | Li9Mn7O16 | 3 | true | -0.169691 | 0.038896 | -0.458434 | false | 0.111161 | -0.377416 | ['Li', 'Mn', 'O'] |
mp-1100524 | Li9Mn7O16 | 3 | true | -0.17735 | 0.036876 | -0.868213 | false | 0.101759 | -0.374316 | ['Li', 'Mn', 'O'] |
mp-1100512 | Li9Mn7O16 | 3 | true | -0.166018 | 0.039865 | -0.467643 | false | 0.096124 | -0.372448 | ['Li', 'Mn', 'O'] |
mp-1100516 | Li9Mn7O16 | 3 | true | -0.176343 | 0.037142 | -0.868213 | false | 0.111633 | -0.377571 | ['Li', 'Mn', 'O'] |
mp-1100520 | Li9Mn7O16 | 3 | true | -0.179174 | 0.036395 | -0.470216 | false | 0.095402 | -0.372208 | ['Li', 'Mn', 'O'] |
mp-1100523 | Li9Mn7O16 | 3 | true | -0.181187 | 0.035864 | -0.296337 | false | 0.097884 | -0.373032 | ['Li', 'Mn', 'O'] |
mp-1100503 | Li9Mn7O16 | 3 | true | -0.141376 | 0.046363 | -0.868213 | false | 0.075045 | -0.365386 | ['Li', 'Mn', 'O'] |
mp-1100517 | Li9Mn7O16 | 3 | true | -0.179912 | 0.0362 | -0.430538 | false | 0.109328 | -0.376813 | ['Li', 'Mn', 'O'] |
mp-1100526 | Li9Mn7O16 | 3 | true | -0.181919 | 0.035671 | -0.404402 | false | 0.108323 | -0.376482 | ['Li', 'Mn', 'O'] |
mp-1100504 | Li9Mn7O16 | 3 | true | -0.141399 | 0.046357 | -0.868213 | false | 0.081389 | -0.367523 | ['Li', 'Mn', 'O'] |
mp-1100511 | Li9Mn7O16 | 3 | true | -0.165954 | 0.039881 | -0.388625 | false | 0.103449 | -0.374875 | ['Li', 'Mn', 'O'] |
mp-1100509 | Li9Mn7O16 | 3 | true | -0.161102 | 0.041161 | -0.559457 | false | 0.107555 | -0.376229 | ['Li', 'Mn', 'O'] |
mp-1100510 | Li9Mn7O16 | 3 | true | -0.168126 | 0.039309 | -0.410428 | false | 0.093632 | -0.371619 | ['Li', 'Mn', 'O'] |
mp-1100515 | Li9Mn7O16 | 3 | true | -0.174966 | 0.037505 | -0.868213 | false | 0.114464 | -0.378499 | ['Li', 'Mn', 'O'] |
mp-1100522 | Li9Mn7O16 | 3 | true | -0.179571 | 0.03629 | -0.49906 | false | 0.119209 | -0.380051 | ['Li', 'Mn', 'O'] |
mp-1100530 | Li9Mn7O16 | 3 | true | -0.175814 | 0.037281 | -0.868213 | false | 0.094931 | -0.372051 | ['Li', 'Mn', 'O'] |
mp-1100541 | Li9Mn7O16 | 3 | true | -0.187699 | 0.034147 | -0.237497 | false | 0.103392 | -0.374856 | ['Li', 'Mn', 'O'] |
mp-1100531 | Li9Mn7O16 | 3 | true | -0.174187 | 0.03771 | -0.868213 | false | 0.116103 | -0.379036 | ['Li', 'Mn', 'O'] |
mp-1100533 | Li9Mn7O16 | 3 | true | -0.16523 | 0.040072 | -0.868213 | false | 0.12246 | -0.381111 | ['Li', 'Mn', 'O'] |
mp-1100536 | Li9Mn7O16 | 3 | true | -0.186548 | 0.03445 | -0.236008 | false | 0.12295 | -0.381271 | ['Li', 'Mn', 'O'] |
mp-1100549 | Li9Mn7O16 | 3 | true | -0.18576 | 0.034658 | -0.266545 | false | 0.094675 | -0.371966 | ['Li', 'Mn', 'O'] |
mp-1100554 | Li9Mn7O16 | 3 | true | -0.183716 | 0.035197 | -0.20845 | false | 0.109571 | -0.376893 | ['Li', 'Mn', 'O'] |
mp-1100555 | Li9Mn7O16 | 3 | true | -0.181229 | 0.035853 | -0.434871 | false | 0.118803 | -0.379919 | ['Li', 'Mn', 'O'] |
mp-1100537 | Li9Mn7O16 | 3 | true | -0.174627 | 0.037594 | -0.868213 | false | 0.12055 | -0.380489 | ['Li', 'Mn', 'O'] |
mp-1100547 | Li9Mn7O16 | 3 | true | -0.176863 | 0.037004 | -0.868213 | false | 0.119224 | -0.380056 | ['Li', 'Mn', 'O'] |
mp-1100558 | Li9Mn7O16 | 3 | true | -0.178875 | 0.036474 | -0.463715 | false | 0.122972 | -0.381278 | ['Li', 'Mn', 'O'] |
mp-1100534 | Li9Mn7O16 | 3 | true | -0.174976 | 0.037502 | -0.868213 | false | 0.120625 | -0.380513 | ['Li', 'Mn', 'O'] |
mp-1100535 | Li9Mn7O16 | 3 | true | -0.174494 | 0.037629 | -0.394042 | false | 0.072163 | -0.364412 | ['Li', 'Mn', 'O'] |
mp-1100540 | Li9Mn7O16 | 3 | true | -0.184469 | 0.034998 | -0.180012 | false | 0.119453 | -0.380131 | ['Li', 'Mn', 'O'] |
mp-1100542 | Li9Mn7O16 | 3 | true | -0.174404 | 0.037653 | -0.868213 | false | 0.105725 | -0.375626 | ['Li', 'Mn', 'O'] |
mp-1100539 | Li9Mn7O16 | 3 | true | -0.176589 | 0.037077 | -0.868213 | false | 0.117895 | -0.379622 | ['Li', 'Mn', 'O'] |
mp-1100543 | Li9Mn7O16 | 3 | true | -0.176446 | 0.037114 | -0.868213 | false | 0.101987 | -0.374392 | ['Li', 'Mn', 'O'] |
mp-1100551 | Li9Mn7O16 | 3 | true | -0.185891 | 0.034623 | -0.288212 | false | 0.112847 | -0.377969 | ['Li', 'Mn', 'O'] |
mp-1100552 | Li9Mn7O16 | 3 | true | -0.179565 | 0.036292 | -0.460601 | false | 0.121027 | -0.380644 | ['Li', 'Mn', 'O'] |
mp-1100557 | Li9Mn7O16 | 3 | true | -0.185393 | 0.034755 | -0.27379 | false | 0.092279 | -0.371168 | ['Li', 'Mn', 'O'] |
mp-1100529 | Li9Mn7O16 | 3 | true | -0.174793 | 0.03755 | -0.868213 | false | 0.111548 | -0.377543 | ['Li', 'Mn', 'O'] |
mp-1100532 | Li9Mn7O16 | 3 | true | -0.174592 | 0.037603 | -0.868213 | false | 0.107386 | -0.376174 | ['Li', 'Mn', 'O'] |
mp-1100545 | Li9Mn7O16 | 3 | true | -0.176865 | 0.037004 | -0.868213 | false | 0.11766 | -0.379545 | ['Li', 'Mn', 'O'] |
mp-1100553 | Li9Mn7O16 | 3 | true | -0.186502 | 0.034462 | -0.243727 | false | 0.10479 | -0.375318 | ['Li', 'Mn', 'O'] |
mp-1100538 | Li9Mn7O16 | 3 | true | -0.17508 | 0.037475 | -0.868213 | false | 0.12264 | -0.38117 | ['Li', 'Mn', 'O'] |
mp-1100546 | Li9Mn7O16 | 3 | true | -0.176844 | 0.037009 | -0.868213 | false | 0.120242 | -0.380388 | ['Li', 'Mn', 'O'] |
mp-1100556 | Li9Mn7O16 | 3 | true | -0.185133 | 0.034823 | -0.292275 | false | 0.114068 | -0.378369 | ['Li', 'Mn', 'O'] |
mp-1100559 | Li9Mn7O16 | 3 | true | -0.176871 | 0.037002 | -0.868213 | false | 0.100494 | -0.373897 | ['Li', 'Mn', 'O'] |
mp-1100544 | Li9Mn7O16 | 3 | true | -0.176885 | 0.036999 | -0.868213 | false | 0.115858 | -0.378956 | ['Li', 'Mn', 'O'] |
mp-1100562 | Li9Mn7O16 | 3 | true | -0.180228 | 0.036117 | -0.436496 | false | 0.105541 | -0.375566 | ['Li', 'Mn', 'O'] |
mp-1175405 | Li9Co7O16 | 3 | true | 0.290548 | 0.289029 | -0.864624 | false | 0.427955 | -0.439708 | ['Co', 'Li', 'O'] |
mp-1175374 | Li9Co7O16 | 3 | true | 0.286103 | 0.287856 | -0.396073 | false | 0.463621 | -0.449288 | ['Co', 'Li', 'O'] |
mp-1175409 | Li9Co7O16 | 3 | true | 0.247874 | 0.277774 | -0.783576 | false | 0.713158 | -0.510378 | ['Co', 'Li', 'O'] |
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